"molecule_id","CATS2D_05_LL","P_VSA_e_2","P_VSA_s_4","ATS3i","ATS3p","ATS4e","ATS4i","ATS4p","ATS5e","ATS5i","ATS5p","ATS6e","ATS6i","ATSC1m","ATSC1p","ATSC1v","ATSC2m","ATSC2p","ATSC2v","ATSC3i","ATSC3m","ATSC3p","ATSC3v","ATSC4i","ATSC4m","ATSC4p","ATSC4v","ATSC5i","ATSC5p","ATSC5v","CIC0","Eta_L","H.052","ICR","nCsp3","nH","NssCH2","ON1V","P_VSA_e_1","P_VSA_LogP_7","P_VSA_m_1","P_VSA_p_1","P_VSA_s_2","P_VSA_v_1","SpMax2_Bh.p.","SpMax8_Bh.p.","SpMin3_Bh.s.","SpMin4_Bh.s.","SpMin6_Bh.m.","SpMin6_Bh.s.","SpMin7_Bh.m.","SpMin7_Bh.s.","SpMin7_Bh.v.","SpMin8_Bh.e.","SpMin8_Bh.m.","SpMin8_Bh.s.","SpMin8_Bh.v.","X2v","X3v","X4v","P_VSA_i_2","ATS2e","ATS2i","ATS2p","ATS2v","ATS3e","ATS3v","ATS4v","ATSC2i","ATSC5m","C.025","CATS2D_06_LL","Eig02_AEA.ed.","Eig02_AEA.ri.","Eig02_EA","Eig02_EA.ed.","Eta_C","nCrt","P_VSA_i_3","P_VSA_MR_3","SM03_EA.ed.","SM05_EA","SM05_EA.ri.","SM06_AEA.ed.","SM06_EA","SM06_EA.ri.","SM07_EA","SM10_AEA.bo.","SM11_AEA.dm.","SpMax7_Bh.i.","SpMax8_Bh.e.","SpMax8_Bh.i.","SpMin2_Bh.s.","SpMin7_Bh.e.","SpMin7_Bh.p.","SpMin8_Bh.i.","SpMin8_Bh.p.","SssCH2","TIC4","TIC5","X5v","SpMax6_Bh.p.","ATSC6m","C.002","Eig02_EA.ri.","HVcpx","P_VSA_LogP_2","SM07_EA.ri.","SM08_EA.ri.","SM09_EA.ri.","SpMax2_Bh.e.","SpMax2_Bh.i.","SpMax2_Bh.m.","SpMaxA_EA.ed.","SpMin1_Bh.e.","SpMin1_Bh.m.","SpMin1_Bh.p.","SpMin1_Bh.s.","SpMin1_Bh.v.","SpMin5_Bh.s.","SpMin6_Bh.e.","SpMin6_Bh.v.","SsCH3","P_VSA_m_2","CATS2D_07_LL","pXC50"
{1 17,2 116.302,3 98.851,4 4.935,5 4.053,6 4.858,7 5.128,8 4.104,9 4.846,10 5.106,11 4.107,12 4.834,13 5.137,14 10.824,15 4.373,16 6.386,17 19.245,18 6.984,19 10.522,20 1.35,21 25.13,22 9.812,23 14.496,24 1.495,25 29.087,26 11.342,27 16.712,28 1.452,29 12.092,30 17.444,31 4.283,32 5.287,34 2.201,35 7,36 24,37 5,38 2.825,39 282.506,40 282.506,41 282.506,42 282.506,43 282.506,44 282.506,45 3.748,46 2.618,47 1.109,48 0.815,49 1.417,50 0.473,51 1.279,52 0.469,53 1.245,54 0.882,55 1.16,56 0.301,57 1.088,58 6.066,59 4.216,60 3.156,61 116.302,62 4.428,63 4.645,64 3.827,65 3.731,66 4.706,67 3.927,68 3.942,69 1.056,70 28.329,71 2,72 9,73 6.074,74 3.633,75 2.639,76 8.722,77 17.563,79 282.506,81 7.222,82 6.043,83 5.85,84 12.189,85 7.571,86 7.381,87 8.34,88 2.639,89 8.722,90 3.009,91 2.853,92 2.918,93 1.275,94 0.934,95 1.218,96 0.804,97 1.046,98 5.65,99 193.624,100 193.624,101 2.273,102 2.834,103 27.974,104 3,105 2.621,106 2.871,107 11.815,108 8.087,109 9.369,110 10.289,111 3.796,112 3.826,113 3.728,114 0.488,115 1.935,116 2.044,117 2.039,118 1.277,119 2.043,120 0.793,121 1.001,122 1.308,123 4.286,124 122.551,125 3,126 3.418}
{0 CHEMBL1138,1 18,2 150.859,3 116.839,4 5.062,5 4.131,6 4.921,7 5.13,8 4.116,9 4.901,10 5.116,11 4.139,12 4.917,13 5.115,14 8.965,15 5.032,16 5.633,17 16.014,18 8.289,19 9.704,20 1.714,21 27.47,22 11.331,23 13.441,24 1.663,25 30.464,26 11.643,27 14.138,28 1.553,29 11.824,30 15.262,31 4.099,32 6.655,33 2,34 2.899,35 5,36 21,37 2,38 3.008,39 223.651,40 223.651,41 223.651,42 253.571,43 223.651,44 223.651,45 3.85,46 2.735,47 1.032,48 1.011,49 1.184,50 0.375,51 1.181,52 0.218,53 1.107,54 0.886,55 1.181,56 0.218,57 1.107,58 7.472,59 5.559,60 3.887,61 150.859,62 4.537,63 4.667,64 4.001,65 3.971,66 4.871,67 4.08,68 4.042,69 1.303,70 29.539,71 2,72 17,73 6.028,74 3.789,75 2.811,76 8.577,77 24.562,78 1,79 334.163,80 42.683,81 7.769,82 6.673,83 6.492,84 12.735,85 8.144,86 7.968,87 9.018,88 2.811,89 8.577,90 2.947,91 2.854,92 2.925,93 1.19,94 0.886,95 1.097,96 0.821,97 1.062,98 0.772,99 259.294,100 261.294,101 2.842,102 2.811,103 29.688,104 2,105 2.744,106 3.482,107 8.193,108 8.79,109 10.067,110 11.086,111 3.923,112 3.949,113 3.868,114 0.389,115 2,116 2.105,117 2.121,118 1.433,119 2.116,120 0.792,121 0.939,122 1.191,124 153.983,125 10,126 4.377}
{0 CHEMBL1201894,1 26,2 98.704,3 68.261,4 5.666,5 4.824,6 5.834,7 6.061,8 5.014,9 5.945,10 6.211,11 5.037,12 5.885,13 6.14,14 19.31,15 8.364,16 11.334,17 37.642,18 15.007,19 20.847,20 2.777,21 57.355,22 22.171,23 30.782,24 3.603,25 80.263,26 29.393,27 41.467,28 3.843,29 32.328,30 46.272,31 4.914,32 12.173,33 10,34 2.412,35 23,36 41,37 9,38 4.95,39 459.073,40 459.073,41 459.073,42 459.073,43 459.073,44 459.073,45 3.799,46 2.958,47 1.194,48 1.1,49 1.618,50 0.86,51 1.587,52 0.844,53 1.547,54 1.176,55 1.513,56 0.825,57 1.451,58 13.795,59 11.568,60 9.462,61 98.704,62 5.08,63 5.261,64 4.479,65 4.417,66 5.49,67 4.743,68 4.893,69 1.9,70 88.469,71 2,72 30,73 8.409,74 4.767,75 3.788,76 16.219,77 57.831,78 3,79 566.439,80 53.683,81 9.494,82 7.959,83 7.846,84 14.247,85 9.403,86 9.273,87 10.646,88 3.788,89 16.219,90 3.354,91 3.225,92 3.296,93 1.359,94 1.277,95 1.507,96 1.109,97 1.419,98 10.109,99 400.367,100 400.367,101 8.702,102 3.235,103 83.841,104 7,105 3.702,106 2.975,107 21.953,108 10.502,109 11.868,110 13.191,111 3.904,112 3.957,113 3.796,114 0.487,115 2.108,116 2.221,117 2.2,118 1.72,119 2.209,120 1.006,121 1.304,122 1.554,123 10.328,124 101.828,125 20,126 4.26}
{0 CHEMBL1329,1 4,2 71.604,3 49.426,4 5.434,5 4.492,6 5.445,7 5.628,8 4.551,9 5.399,10 5.611,11 4.41,12 5.174,13 5.371,14 12.85,15 6.153,16 7.017,17 26.046,18 10.78,19 12.915,20 2.024,21 43.092,22 15.749,23 19.781,24 2.254,25 53.061,26 18.252,27 23.835,28 2.051,29 16.658,30 22.735,31 4.349,32 9.669,33 5,34 2.733,35 14,36 27,37 3,38 3.475,39 258.964,40 247.193,41 258.964,42 258.964,43 259.324,44 258.964,45 3.672,46 2.81,47 1.097,48 0.977,49 1.482,50 0.681,51 1.413,52 0.604,53 1.417,54 1.035,55 1.276,56 0.5,57 1.296,58 9.762,59 8.191,60 6.595,61 71.604,62 4.876,63 4.992,64 4.215,65 4.227,66 5.288,67 4.477,68 4.504,69 1.463,70 53.689,71 2,72 3,73 6.743,74 4.15,75 3.197,76 10.787,77 39.805,78 1,79 530.526,80 181.733,81 8.736,82 7.359,83 7.203,84 13.579,85 8.803,86 8.63,87 9.884,88 3.197,89 10.787,90 3.235,91 3.089,92 3.132,93 1.225,94 1.145,95 1.403,96 0.991,97 1.316,98 2.478,99 343.659,100 343.659,101 5.381,102 3.126,103 41.819,104 2,105 3.034,106 3.287,107 7.175,108 9.702,109 11.021,110 12.241,111 3.867,112 3.874,113 3.798,114 0.445,115 2.05,116 2.161,117 2.144,118 1.583,119 2.151,120 0.9,121 1.247,122 1.495,123 2.116,124 74.728,126 2.495}
{0 CHEMBL1332971,1 4,2 81.12,3 65.254,4 4.274,5 3.511,6 4.196,7 4.37,8 3.423,9 4.104,10 4.322,11 3.309,12 3.9,13 4.082,14 4.099,15 2.382,16 2.639,17 7.703,18 3.89,19 4.674,20 0.714,21 11.872,22 4.781,23 5.594,24 0.718,25 17.426,26 4.955,27 5.75,28 0.639,29 5.114,30 6.165,31 3.109,32 3.37,34 2.108,35 1,36 11,38 1.563,39 105.94,40 94.169,41 105.94,42 105.94,43 105.94,44 105.94,45 3.746,46 2.231,47 0.603,48 0.286,49 0.92,51 0.837,53 0.848,54 0.391,55 0.649,57 0.648,58 4.149,59 2.968,60 1.722,61 81.12,62 3.909,63 4.039,64 3.41,65 3.38,66 4.12,67 3.469,68 3.358,69 0.599,70 16.261,71 2,72 6,73 6.291,74 3.829,75 2.861,76 9.243,77 11.444,79 212.917,81 7.05,82 5.994,83 5.764,84 12.062,85 7.433,86 7.199,87 8.238,88 2.861,89 9.243,90 2.669,91 2.419,92 2.483,93 0.953,94 0.525,95 0.831,96 0.335,97 0.623,99 136.127,100 136.127,101 1.05,102 2.568,103 10.333,105 2.752,106 2.811,108 7.949,109 9.172,110 10.09,111 3.834,112 3.859,113 3.841,114 0.523,115 1.928,116 2.014,117 2.038,118 1.143,119 2.033,120 0.12,121 0.688,122 0.912,123 1.855,124 115.916,125 4,126 3.205}
{0 CHEMBL139,1 8,2 85.478,3 66.334,4 4.374,5 3.623,6 4.199,7 4.377,8 3.574,9 4.131,10 4.306,11 3.483,12 4.081,13 4.221,14 3.319,15 2.399,16 2.633,17 6.014,18 4.041,19 4.783,20 0.704,21 15.07,22 5.678,23 6.224,24 0.693,25 21.905,26 5.924,27 6.781,28 0.628,29 5.575,30 6.546,31 3.179,32 3.811,34 2.215,35 1,36 11,37 1,38 1.614,39 105.94,40 105.94,41 105.94,42 105.94,43 105.94,44 105.94,45 3.795,46 1.994,47 0.686,48 0.293,49 1,50 0.105,51 0.851,53 0.908,54 0.284,55 0.705,57 0.688,58 4.764,59 3.211,60 2.203,61 85.478,62 3.947,63 4.051,64 3.518,65 3.464,66 4.223,67 3.544,68 3.469,69 0.558,70 15.433,71 1,72 14,73 6.106,74 3.74,75 2.779,76 8.881,77 13.24,79 252.065,81 6.986,82 5.943,83 5.571,84 11.986,85 7.398,86 7.072,87 8.157,88 2.779,89 8.881,90 2.758,91 2.361,92 2.457,93 1.037,94 0.668,95 0.891,96 0.189,97 0.65,98 -0.064,99 137.207,100 137.207,101 1.344,102 2.669,103 13.893,104 1,105 2.589,106 2.887,107 2.535,108 7.692,109 8.954,110 9.776,111 3.84,112 3.859,113 3.851,114 0.495,115 1.947,116 2.04,117 2.038,118 1.186,119 2.043,120 0.115,121 0.798,122 1.004,124 103.489,125 7,126 4.921}
{0 CHEMBL14130,2 40.662,3 43.575,4 3.552,5 2.557,6 3.321,7 3.505,8 2.113,9 2.687,10 2.883,11 1.347,12 1.726,13 1.702,14 1.982,15 1.228,16 1.196,17 2.725,18 1.895,19 1.901,20 0.304,21 4.928,22 2.028,23 2.191,24 0.218,25 6.417,26 1.603,27 1.724,28 0.091,29 0.781,30 0.912,31 2.125,32 1.431,34 1.971,36 5,38 0.722,39 47.084,40 47.084,41 47.084,42 47.084,43 47.084,44 47.084,45 3.038,46 0.522,47 0.111,49 0.381,58 1.774,59 1.061,60 0.574,61 40.662,62 3.214,63 3.287,64 2.617,65 2.657,66 3.407,67 2.592,68 2.165,69 0.282,70 4.068,73 5,74 3.201,75 2.248,76 5.938,77 3.396,79 140.515,80 50.747,81 6.043,82 5.142,83 4.932,84 11.055,85 6.532,86 6.334,87 7.215,88 2.248,89 5.938,90 1.208,91 0.981,92 1.16,93 0.218,99 48.603,100 48.603,101 0.347,102 1.217,103 0.898,105 2.134,106 2.329,108 6.945,109 8.145,110 8.923,111 3.49,112 3.504,113 3.463,114 0.819,115 1.897,116 1.993,117 2.076,118 1.049,119 2.034,122 0.23,124 46.332,126 1.936}
{0 CHEMBL15901,1 4,2 87.695,3 75.81,4 4.19,5 3.391,6 4.002,7 4.264,8 3.243,9 3.792,10 4.079,11 3.005,12 3.46,13 3.717,14 5.483,15 2.166,16 3.016,17 8.294,18 3.763,19 5.221,20 0.667,21 11.296,22 4.591,23 6.511,24 0.634,25 12.199,26 4.899,27 7.056,28 0.492,29 4.232,30 6.11,31 3.386,32 2.436,34 2.236,36 12,38 1.34,39 94.169,40 94.169,41 94.169,42 94.169,43 94.169,44 94.169,45 3.685,46 1.843,47 0.247,48 0.218,49 1.154,51 0.814,53 0.759,54 0.176,55 0.645,57 0.548,58 3.244,59 2.155,60 1.351,61 87.695,62 3.744,63 3.897,64 3.311,65 3.236,66 3.988,67 3.277,68 3.069,69 0.532,70 10.061,71 2,73 5.101,74 3.396,75 2.414,76 6.268,77 6.536,79 94.169,81 6.475,82 5.485,83 5.427,84 11.475,85 6.978,86 6.935,87 7.609,88 2.414,89 6.268,90 2.532,91 2.156,92 2.279,93 0.932,94 0.373,95 0.718,96 0.037,97 0.486,99 76.211,100 76.211,101 0.94,102 2.55,103 6.984,105 2.37,106 2.815,108 7.551,109 8.821,110 9.638,111 3.764,112 3.805,113 3.692,114 0.604,115 1.988,116 2.083,117 2.06,118 1.184,119 2.069,120 0.218,121 0.788,122 1.107,124 153.489,126 3.337}
{0 CHEMBL1743323,1 16,2 91.529,3 65.136,4 5.542,5 4.722,6 5.728,7 5.95,8 4.89,9 5.812,10 6.085,11 4.847,12 5.667,13 5.92,14 16.536,15 7.167,16 9.598,17 32.538,18 13.258,19 18.091,20 2.476,21 50.815,22 19.947,23 27.266,24 3.19,25 72.231,26 26.24,27 36.801,28 3.256,29 27.236,30 39.294,31 4.671,32 10.336,33 9,34 2.259,35 19,36 35,37 6,38 4.142,39 376.675,40 376.675,41 376.675,42 376.675,43 376.675,44 376.675,45 3.785,46 2.9,47 1.181,48 1.031,49 1.59,50 0.846,51 1.527,52 0.651,53 1.475,54 1.059,55 1.424,56 0.639,57 1.341,58 11.847,59 10.383,60 8.525,61 91.529,62 4.945,63 5.116,64 4.362,65 4.312,66 5.377,67 4.649,68 4.77,69 1.66,70 78.26,71 2,72 18,73 8.408,74 4.765,75 3.786,76 16.208,77 48.127,78 2,79 484.042,80 53.683,81 9.45,82 7.89,83 7.781,84 14.201,85 9.342,86 9.217,87 10.601,88 3.786,89 16.208,90 3.292,91 3.075,92 3.139,93 1.347,94 1.181,95 1.443,96 0.998,97 1.312,98 5.8,99 336.66,100 336.66,101 7.742,102 3.089,103 68.366,104 5,105 3.701,106 2.825,107 14.778,108 10.462,109 11.835,110 13.165,111 3.873,112 3.904,113 3.796,114 0.555,115 2.105,116 2.22,117 2.198,118 1.712,119 2.207,120 0.886,121 1.289,122 1.549,123 10.176,124 109.54,125 11,126 4.721}
{0 CHEMBL1908106,1 14,2 130.747,3 76.027,4 4.807,5 4.114,6 4.748,7 4.957,8 4.165,9 4.766,10 4.981,11 4.155,12 4.745,13 4.953,14 9.025,15 4.14,16 5.294,17 17.696,18 7.246,19 9.294,20 1.197,21 23.694,22 9.964,23 12.934,24 1.328,25 27.914,26 12.027,27 15.548,28 1.349,29 11.926,30 15.547,31 3.937,32 5.712,33 4,34 2.191,35 5,36 19,37 4,38 2.533,39 211.88,40 231.386,41 211.88,42 211.88,43 211.88,44 211.88,45 3.763,46 2.615,47 0.887,48 0.825,49 1.476,50 0.62,51 1.221,52 0.41,53 1.218,54 0.867,55 1.104,56 0.252,57 1.063,58 6.978,59 5.571,60 4.249,61 99.47,62 4.351,63 4.515,64 3.918,65 3.819,66 4.626,67 3.996,68 4.023,69 0.95,70 27.577,71 3,72 5,73 6.26,74 3.68,75 2.734,76 9.24,77 19.807,79 254.563,81 7.567,82 6.382,83 6.24,84 12.52,85 7.865,86 7.714,87 8.715,88 2.734,89 9.24,90 2.978,91 2.758,92 2.818,93 1.12,94 1.045,95 1.159,96 0.81,97 1.019,98 4.437,99 192.905,100 194.905,101 3.127,102 2.941,103 32.194,104 2,105 2.587,106 2.799,107 9.28,108 8.547,109 9.817,110 10.835,111 3.794,112 3.852,113 3.873,114 0.481,115 1.972,116 2.081,117 2.053,118 1.382,119 2.065,120 0.665,121 1.153,122 1.429,123 2.186,124 102.594,126 3.779}
{0 CHEMBL1908108,1 6,2 211.744,3 161.896,4 5.726,5 4.722,6 5.639,7 5.858,8 4.799,9 5.704,10 5.944,11 4.821,12 5.651,13 5.913,14 19.125,15 8.386,16 10.854,17 38.69,18 13.581,19 18.299,20 3.072,21 55.711,22 18.764,23 25.229,24 3.427,25 64.366,26 21.529,27 29.567,28 3.428,29 23.182,30 32.606,31 4.873,32 12.697,33 7,34 3.719,35 15,36 42,37 9,38 5.768,39 482.615,40 447.302,41 482.615,42 512.535,43 482.615,44 482.615,45 3.875,46 3.267,47 1.263,48 1.131,49 1.818,50 0.996,51 1.702,52 0.878,53 1.747,54 1.344,55 1.691,56 0.827,57 1.633,58 13.332,59 9.963,60 7.24,61 211.744,62 5.226,63 5.403,64 4.538,65 4.527,66 5.518,67 4.674,68 4.73,69 2.504,70 70.087,71 1,72 4,73 6.798,74 4.151,75 3.204,76 11.089,77 55.395,78 2,79 572.443,80 53.683,81 8.548,82 7.321,83 7.046,84 13.414,85 8.776,86 8.466,87 9.694,88 3.204,89 11.089,90 3.707,91 3.502,92 3.56,93 1.313,94 1.512,95 1.751,96 1.258,97 1.592,98 5.458,99 538.632,100 540.632,101 4.626,102 3.517,103 68.853,104 2,105 3.027,106 4.283,107 30.908,108 9.327,109 10.569,110 11.606,111 3.988,112 4.03,113 3.939,114 0.252,115 1.94,116 2.061,117 2.083,118 1.352,119 2.08,120 1.081,121 1.617,122 1.795,123 3.593,124 276.007,125 12,126 4.796}
{0 CHEMBL1908109,1 33,2 186.155,3 161.41,4 5.051,5 4.217,6 4.952,7 5.177,8 4.286,9 5.042,10 5.238,11 4.406,12 5.18,13 5.394,14 12.997,15 5.783,16 7.753,17 22.699,18 9.072,19 12.384,20 1.441,21 28.846,22 12.07,23 16.307,24 1.582,25 31.661,26 13.656,27 18.748,28 1.736,29 14.655,30 19.713,31 4.571,32 6.392,33 3,34 2.874,35 6,36 29,37 2,38 3.386,39 329.591,40 329.591,41 329.591,42 329.591,43 329.591,44 329.591,45 3.8,46 2.735,47 1.056,48 1.001,49 1.558,50 0.697,51 1.417,52 0.481,53 1.308,54 0.934,55 1.334,56 0.469,57 1.285,58 7.373,59 4.785,60 3.359,61 186.155,62 4.623,63 4.805,64 4.05,65 3.975,66 4.854,67 4.109,68 4.172,69 1.195,70 34.757,71 3,72 30,73 6.03,74 3.655,75 2.669,76 8.502,77 24.47,79 383.274,80 42.683,81 7.466,82 6.293,83 6.198,84 12.425,85 7.815,86 7.724,87 8.574,88 2.669,89 8.502,90 3.148,91 2.874,92 3.009,93 1.106,94 1.106,95 1.253,96 0.821,97 1.239,98 1.522,99 281.498,100 287.498,101 2.33,102 3.032,103 39.916,105 2.635,106 3.307,107 6.698,108 8.483,109 9.781,110 10.759,111 3.857,112 3.885,113 3.789,114 0.385,115 2.021,116 2.108,117 2.081,118 1.274,119 2.09,120 0.893,121 1.214,122 1.507,123 5.888,124 189.279,125 17,126 3.996}
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{0 CHEMBL43871,1 28,2 65.239,3 35.301,4 5.777,5 4.8,6 5.804,7 6.071,8 4.918,9 5.842,10 6.152,11 4.849,12 5.703,13 6.022,14 19.875,15 8.752,16 12.028,17 39.496,18 16.38,19 22.8,20 2.771,21 60.138,22 24.07,23 33.883,24 3.316,25 73.499,26 29.017,27 41.436,28 3.26,29 28.719,30 41.564,31 5.045,32 13.176,33 8,34 2.933,35 27,36 44,37 11,38 5.358,39 506.157,40 506.157,41 506.157,42 506.157,43 506.157,44 506.157,45 3.845,46 2.967,47 1.38,48 1.273,49 1.693,50 1.037,51 1.659,52 0.936,53 1.596,54 1.179,55 1.544,56 0.804,57 1.46,58 13.103,59 11.905,60 10.253,61 65.239,62 5.097,63 5.285,64 4.475,65 4.374,66 5.554,67 4.657,68 4.717,69 1.887,70 73.124,72 23,73 7.863,74 4.601,75 3.603,76 14.631,77 54.839,78 7,79 570.841,80 64.683,81 8.961,82 7.54,83 7.513,84 13.723,85 8.974,86 8.939,87 10.126,88 3.603,89 14.631,90 3.331,91 3.142,92 3.234,93 1.465,94 1.359,95 1.56,96 1.092,97 1.409,98 13.356,99 408.48,100 418.48,101 8.631,102 3.226,103 63.18,104 10,105 3.593,106 3.381,107 29.938,108 10.092,109 11.417,110 12.667,111 3.951,112 3.985,113 3.854,114 0.445,115 2.056,116 2.217,117 2.157,118 1.701,119 2.179,120 1.086,121 1.432,122 1.655,123 10.014,124 65.239,125 18,126 5.155}
{0 CHEMBL44041,1 20,2 49.286,3 26.476,4 5.542,5 4.571,6 5.567,7 5.847,8 4.694,9 5.642,10 5.97,11 4.585,12 5.415,13 5.766,14 15.665,15 6.96,16 9.647,17 29.722,18 13,19 18.22,20 2.197,21 45.728,22 19.3,23 27.329,24 2.644,25 56.205,26 23.346,27 33.474,28 2.542,29 22.463,30 32.663,31 4.752,32 10.29,33 8,34 2.525,35 21,36 36,37 9,38 4.217,39 400.217,40 400.217,41 400.217,42 400.217,43 400.217,44 400.217,45 3.8,46 2.853,47 1.303,48 1.088,49 1.645,50 0.857,51 1.541,52 0.755,53 1.454,54 1.092,55 1.446,56 0.717,57 1.363,58 10.054,59 9.294,60 8.068,61 49.286,62 4.828,63 5.029,64 4.233,65 4.109,66 5.305,67 4.402,68 4.47,69 1.482,70 56.897,72 15,73 7.824,74 4.524,75 3.525,76 14.429,77 39.093,78 5,79 485.584,80 85.367,81 8.591,82 7.186,83 7.164,84 13.376,85 8.613,86 8.595,87 9.758,88 3.525,89 14.429,90 3.212,91 3.034,92 3.132,93 1.438,94 1.16,95 1.401,96 1.006,97 1.311,98 11.293,99 300.811,100 314.811,101 6.389,102 3.1,103 44.035,104 9,105 3.521,106 2.996,107 22.811,108 9.741,109 11.066,110 12.311,111 3.89,112 3.934,113 3.779,114 0.579,115 2.055,116 2.217,117 2.156,118 1.7,119 2.179,120 1.015,121 1.308,122 1.575,123 7.076,124 49.286,125 8,126 5.137}
{0 CHEMBL44125,1 25,2 76.663,3 44.126,4 5.78,5 4.848,6 5.861,7 6.111,8 4.985,9 5.926,10 6.227,11 4.909,12 5.746,13 6.047,14 19.98,15 8.917,16 12.104,17 40.025,18 16.67,19 22.987,20 2.866,21 62.347,22 24.737,23 34.457,24 3.527,25 80.163,26 30.65,27 43.546,28 3.488,29 30.526,30 44.294,31 5.037,32 13.299,33 8,34 2.915,35 27,36 44,37 10,38 5.358,39 506.157,40 506.157,41 506.157,42 506.157,43 506.157,44 506.157,45 3.862,46 3.026,47 1.367,48 1.27,49 1.692,50 1.022,51 1.665,52 0.927,53 1.601,54 1.214,55 1.569,56 0.795,57 1.489,58 13.673,59 12.48,60 10.306,61 76.663,62 5.119,63 5.303,64 4.505,65 4.417,66 5.576,67 4.727,68 4.807,69 1.929,70 82.545,72 24,73 8.23,74 4.794,75 3.797,76 16.109,77 58.979,78 6,79 595.985,80 64.683,81 9.215,82 7.75,83 7.739,84 13.985,85 9.186,86 9.169,87 10.39,88 3.797,89 16.109,90 3.347,91 3.196,92 3.281,93 1.445,94 1.365,95 1.565,96 1.135,97 1.442,98 9.968,99 431.068,100 431.068,101 8.553,102 3.226,103 69.5,104 9,105 3.787,106 3.366,107 27.403,108 10.377,109 11.727,110 13.023,111 3.963,112 3.996,113 3.872,114 0.456,115 2.063,116 2.214,117 2.162,118 1.688,119 2.181,120 1.075,121 1.435,122 1.66,123 11.759,124 76.663,125 19,126 4.745}
{0 CHEMBL44201,1 6,2 94.414,3 85.286,4 4.108,5 3.314,6 3.845,7 4.097,8 3.138,9 3.656,10 3.927,11 2.923,12 3.384,13 3.652,14 4.907,15 2.099,16 2.908,17 7.612,18 3.498,19 4.863,20 0.577,21 10.366,22 4.453,23 6.271,24 0.541,25 10.249,26 4.385,27 6.221,28 0.437,29 3.787,30 5.388,31 3.378,32 2.265,34 2.2,36 11,38 1.313,39 105.94,40 105.94,41 105.94,42 105.94,43 105.94,44 105.94,45 3.678,46 1.217,47 0.271,48 0.218,49 1.025,51 0.705,53 0.617,55 0.381,57 0.23,58 2.988,59 2.018,60 1.306,61 94.414,62 3.665,63 3.811,64 3.258,65 3.172,66 3.898,67 3.186,68 2.967,69 0.449,70 8.585,71 2,72 2,73 5.047,74 3.312,75 2.329,76 6.109,77 5.724,79 105.94,81 6.293,82 5.252,83 5.216,84 11.318,85 6.83,86 6.805,87 7.419,88 2.329,89 6.109,90 2.365,91 1.602,92 1.802,93 0.933,94 0.255,95 0.561,97 0.133,99 92.039,100 92.039,101 0.885,102 2.468,103 6.508,105 2.287,106 2.696,108 7.384,109 8.697,110 9.5,111 3.748,112 3.787,113 3.668,114 0.646,115 1.987,116 2.088,117 2.054,118 1.183,119 2.067,120 0.218,121 0.676,122 0.977,124 127.311,126 4.18}
{0 CHEMBL516,1 27,2 131.553,3 106.283,4 4.884,5 4.152,6 4.784,7 5.018,8 4.174,9 4.801,10 5.037,11 4.183,12 4.789,13 5.016,14 9.537,15 4.203,16 5.92,17 17.314,18 7.105,19 10.121,20 1.256,21 23.334,22 10.285,23 14.555,24 1.365,25 26.143,26 11.919,27 16.843,28 1.394,29 12.033,30 17.028,31 4.29,32 5.266,33 4,34 2.191,35 5,36 21,37 4,38 2.74,39 247.193,40 247.193,41 247.193,42 247.193,43 247.193,44 247.193,45 3.739,46 2.711,47 1.12,48 0.825,49 1.513,50 0.571,51 1.27,52 0.432,53 1.21,54 0.835,55 1.108,56 0.196,57 1.038,58 6.29,59 4.847,60 3.584,61 131.553,62 4.386,63 4.568,64 3.914,65 3.825,66 4.68,67 4.031,68 4.023,69 0.966,70 26.65,71 4,72 11,73 6.074,74 3.639,75 2.639,76 8.722,77 17.646,79 247.193,81 7.448,82 6.236,83 6.198,84 12.403,85 7.768,86 7.73,87 8.564,88 2.639,89 8.722,90 3.033,91 2.815,92 2.88,93 1.121,94 0.995,95 1.171,96 0.779,97 0.996,98 4.677,99 180.574,100 184.574,101 2.814,102 2.941,103 26.316,104 2,105 2.639,106 2.813,107 9.28,108 8.531,109 9.831,110 10.836,111 3.794,112 3.856,113 3.719,114 0.475,115 1.995,116 2.098,117 2.069,118 1.389,119 2.081,120 0.696,121 1.153,122 1.429,123 2.22,124 134.677,125 3,126 3.722}
{0 CHEMBL521,1 7,2 74.196,3 64.381,4 4.553,5 3.589,6 4.458,7 4.735,8 3.524,9 4.236,10 4.496,11 3.317,12 4.038,13 4.338,14 7.678,15 3.527,16 4.7,17 13.109,18 5.695,19 7.85,20 0.819,21 17.332,22 7.124,23 9.886,24 0.844,25 19.688,26 7.338,27 10.402,28 0.683,29 5.93,30 8.372,31 3.793,32 4.192,34 2.257,35 6,36 18,37 1,38 2.106,39 200.109,40 200.109,41 200.109,42 200.109,43 200.109,44 200.109,45 3.549,46 2.177,47 0.846,48 0.475,49 1.181,50 0.218,51 1.118,52 0.131,53 1.107,54 0.421,55 0.792,57 0.747,58 4.399,59 2.494,60 1.556,61 74.196,62 4.055,63 4.252,64 3.441,65 3.333,66 4.333,67 3.446,68 3.352,69 0.652,70 15.756,71 2,72 4,73 5.439,74 3.546,75 2.546,76 7.221,77 12.485,79 267.937,81 6.605,82 5.673,83 5.665,84 11.615,85 7.043,86 7.039,87 7.793,88 2.546,89 7.221,90 2.925,91 2.397,92 2.501,93 1.149,94 0.849,95 1.062,96 0.327,97 0.704,98 1.043,99 134.2,100 134.2,101 0.925,102 2.632,103 12.767,104 1,105 2.544,106 2.858,107 2.535,108 7.784,109 8.978,110 9.88,111 3.674,112 3.729,113 3.545,114 0.613,115 1.964,116 2.095,117 2.046,118 1.323,119 2.063,120 0.469,121 0.886,122 1.197,123 6.057,124 74.196,125 3,126 3.638}
{0 CHEMBL534,1 14,2 128.939,3 66.551,4 4.828,5 4.123,6 4.764,7 4.973,8 4.176,9 4.773,10 4.993,11 4.154,12 4.736,13 4.945,14 8.844,15 4.154,16 5.404,17 18.195,18 7.448,19 9.579,20 1.218,21 24.279,22 10.141,23 13.094,24 1.35,25 28.319,26 12.218,27 15.818,28 1.359,29 12.042,30 15.711,31 3.937,32 5.801,33 4,34 2.191,35 6,36 19,37 5,38 2.608,39 223.651,40 243.158,41 223.651,42 223.651,43 223.651,44 223.651,45 3.773,46 2.648,47 0.917,48 0.825,49 1.506,50 0.627,51 1.232,52 0.494,53 1.259,54 0.878,55 1.112,56 0.294,57 1.079,58 7.118,59 5.725,60 4.399,61 97.661,62 4.374,63 4.544,64 3.929,65 3.826,66 4.647,67 4.005,68 4.033,69 0.971,70 27.967,71 3,72 5,73 6.26,74 3.704,75 2.734,76 9.24,77 19.932,79 248.796,81 7.567,82 6.382,83 6.304,84 12.52,85 7.865,86 7.769,87 8.715,88 2.734,89 9.24,90 2.978,91 2.792,92 2.836,93 1.175,94 1.081,95 1.19,96 0.819,97 1.04,98 4.941,99 192.905,100 192.905,101 3.27,102 2.941,103 31.992,104 3,105 2.652,106 2.799,107 11.815,108 8.616,109 9.883,110 10.908,111 3.795,112 3.853,113 3.877,114 0.481,115 1.976,116 2.086,117 2.056,118 1.385,119 2.069,120 0.699,121 1.153,122 1.429,123 2.183,124 100.786,126 4.155}
{0 CHEMBL563,1 9,2 104.223,3 84.635,4 4.438,5 3.611,6 4.306,7 4.491,8 3.526,9 4.268,10 4.496,11 3.344,12 3.988,13 4.219,14 5.423,15 3.086,16 3.515,17 9.548,18 5.016,19 6.033,20 0.919,21 14.459,22 6.569,23 7.761,24 0.956,25 15.936,26 6.678,27 7.66,28 0.98,29 6.438,30 7.341,31 3.507,32 3.671,34 2.53,35 2,36 13,38 1.808,39 141.253,40 141.253,41 141.253,42 156.213,43 141.253,44 141.253,45 3.728,46 2.326,47 0.788,48 0.282,49 1.104,50 0.15,51 1.069,52 0.056,53 1.064,54 0.47,55 0.754,57 0.74,58 4.165,59 2.948,60 1.795,61 104.223,62 3.982,63 4.113,64 3.495,65 3.45,66 4.265,67 3.555,68 3.466,69 0.692,70 17.192,71 3,72 7,73 6.246,74 3.801,75 2.803,76 9.081,77 11.581,79 209.081,81 7.05,82 5.994,83 5.923,84 12.062,85 7.433,86 7.372,87 8.234,88 2.803,89 9.081,90 2.925,91 2.495,92 2.566,93 1.064,94 0.847,95 1.04,96 0.412,97 0.722,99 140.825,100 140.825,101 1.151,102 2.733,103 13.74,105 2.791,106 2.953,108 8.148,109 9.389,110 10.331,111 3.798,112 3.827,113 3.724,114 0.53,115 1.997,116 2.089,117 2.067,118 1.243,119 2.074,120 0.218,121 0.859,122 1.08,123 1.541,124 104.223,125 5,126 4.046}
{0 CHEMBL571,1 12,2 109.712,3 94.111,4 4.478,5 3.664,6 4.359,7 4.536,8 3.573,9 4.249,10 4.443,11 3.471,12 4.119,13 4.314,14 5.908,15 3.195,16 3.774,17 10.22,18 5.171,19 6.439,20 0.794,21 15.094,22 6.76,23 8.372,24 0.809,25 17.187,26 6.774,27 7.951,28 0.732,29 6.192,30 7.557,31 3.699,32 3.785,34 2.484,35 2,36 14,38 1.925,39 153.024,40 153.024,41 153.024,42 153.024,43 153.024,44 153.024,45 3.787,46 2.564,47 0.844,48 0.329,49 1.178,50 0.218,51 1.036,52 0.1,53 1.013,54 0.695,55 0.957,57 0.914,58 4.381,59 3.055,60 1.848,61 109.712,62 4.03,63 4.157,64 3.555,65 3.501,66 4.31,67 3.6,68 3.51,69 0.606,70 15.59,71 3,72 11,73 6.244,74 3.833,75 2.823,76 9.057,77 11.918,79 245.998,81 7.029,82 5.994,83 6.044,84 12.062,85 7.441,86 7.492,87 8.223,88 2.823,89 9.057,90 2.84,91 2.677,92 2.741,93 1.07,94 0.783,95 0.979,96 0.642,97 0.874,99 150.955,100 153.71,101 1.206,102 2.647,103 13.454,105 2.841,106 3.028,108 8.295,109 9.538,110 10.505,111 3.846,112 3.874,113 3.775,114 0.492,115 1.979,116 2.077,117 2.056,118 1.227,119 2.062,120 0.234,121 0.863,122 1.107,123 1.606,124 109.712,125 8,126 4.076}
{0 CHEMBL629,1 21,2 127.716,3 105.203,4 4.861,5 4.084,6 4.789,7 5.043,8 4.11,9 4.765,10 5.018,11 4.068,12 4.705,13 4.978,14 10.243,15 4.444,16 6.333,17 17.981,18 7.3,19 10.567,20 1.226,21 23.17,22 10.356,23 14.696,24 1.372,25 26.593,26 11.916,27 16.929,28 1.34,29 11.611,30 16.507,31 4.329,32 5.147,33 2,34 2.201,35 6,36 23,37 4,38 2.75,39 270.735,40 270.735,41 270.735,42 270.735,43 270.735,44 270.735,45 3.748,46 2.618,47 1.098,48 0.793,49 1.417,50 0.469,51 1.304,52 0.462,53 1.24,54 0.882,55 1.16,56 0.294,57 1.088,58 6.024,59 4.204,60 3.104,61 127.716,62 4.381,63 4.585,64 3.854,65 3.749,66 4.648,67 3.947,68 3.94,69 0.974,70 25.966,71 4,72 9,73 6.074,74 3.639,75 2.639,76 8.722,77 17.081,79 270.735,81 7.222,82 6.043,83 6.005,84 12.189,85 7.571,86 7.542,87 8.34,88 2.639,89 8.722,90 3.009,91 2.853,92 2.918,93 1.265,94 0.934,95 1.201,96 0.804,97 1.045,98 4.454,99 188.705,100 188.705,101 2.265,102 2.856,103 24.517,104 3,105 2.639,106 2.871,107 9.709,108 8.313,109 9.612,110 10.592,111 3.796,112 3.826,113 3.728,114 0.488,115 1.979,116 2.073,117 2.036,118 1.277,119 2.05,120 0.763,121 1.033,122 1.308,123 4.265,124 130.84,125 3,126 3.672}
{0 CHEMBL70,1 4,2 65.091,3 49.426,4 5.028,5 4.206,6 5.053,7 5.264,8 4.266,9 4.999,10 5.257,11 4.049,12 4.677,13 4.929,14 9.135,15 4.164,16 5.226,17 18.107,18 7.505,19 9.766,20 1.465,21 27.984,22 11.34,23 14.976,24 1.691,25 35.367,26 13.841,27 18.607,28 1.526,29 12.512,30 17.484,31 3.874,32 6.224,33 5,34 1.936,35 9,36 19,37 3,38 2.497,39 200.109,40 200.109,41 200.109,42 200.109,43 200.109,44 200.109,45 3.631,46 2.452,47 0.977,48 0.893,49 1.276,50 0.497,51 1.117,52 0.384,53 1.059,54 0.669,55 0.947,56 0.12,57 0.969,58 6.93,59 6.15,60 5.238,61 65.091,62 4.463,63 4.611,64 3.916,65 3.884,66 4.858,67 4.141,68 4.161,69 1.041,70 35.399,71 2,72 3,73 6.597,74 3.833,75 2.875,76 10.197,77 21.401,78 1,79 296.475,80 42.683,81 8.512,82 7.048,83 6.927,84 13.312,85 8.515,86 8.383,87 9.643,88 2.875,89 10.197,90 2.958,91 2.697,92 2.76,93 1.094,94 0.831,95 1.028,96 0.613,97 0.977,98 2.971,99 202.122,100 202.122,101 4.469,102 2.798,103 26.147,104 2,105 2.761,106 2.573,107 7.175,108 9.506,109 10.852,110 12.108,111 3.72,112 3.75,113 3.649,114 0.676,115 2.05,116 2.161,117 2.143,118 1.582,119 2.151,120 0.604,121 1.031,122 1.273,123 2.188,124 68.215,126 2.484}
{0 CHEMBL71,1 10,2 134.208,3 89.375,4 4.733,5 4.001,6 4.638,7 4.886,8 3.982,9 4.555,10 4.777,11 3.954,12 4.579,13 4.832,14 8.417,15 3.845,16 5.123,17 17.737,18 6.587,19 8.57,20 1.166,21 26.686,22 9.372,23 11.817,24 1.243,25 31.27,26 10.9,27 13.77,28 1.114,29 10.184,30 12.991,31 3.805,32 5.137,34 2.226,35 5,36 19,37 3,38 2.388,39 223.651,40 255.87,41 223.651,42 223.651,43 223.651,44 223.651,45 3.719,46 2.618,47 0.975,48 0.816,49 1.275,50 0.469,51 1.121,52 0.247,53 1.084,54 0.813,55 1.087,56 0.208,57 1.021,58 7.011,59 4.94,60 3.831,61 101.988,62 4.31,63 4.5,64 3.826,65 3.711,66 4.537,67 3.842,68 3.799,69 0.958,70 28.826,72 8,73 6.006,74 3.56,75 2.607,76 8.482,77 17.806,79 262.8,81 7.298,82 6.155,83 5.705,84 12.26,85 7.646,86 7.203,87 8.444,88 2.607,89 8.482,90 2.977,91 2.791,92 2.855,93 1.14,94 0.934,95 1.027,96 0.755,97 0.976,98 3.211,99 189.367,100 189.367,101 3.094,102 2.827,103 28.25,104 1,105 2.472,106 2.911,107 6.746,108 7.873,109 9.138,110 10.025,111 3.763,112 3.787,113 3.853,114 0.495,115 1.981,116 2.037,117 2.057,118 1.29,119 2.069,120 0.471,121 0.94,122 1.242,123 4.232,124 108.237,125 3,126 4.032}
{0 CHEMBL715,1 6,2 117.618,3 70.851,4 4.856,5 4.021,6 4.74,7 4.995,8 4,9 4.64,10 4.888,11 3.981,12 4.605,13 4.814,14 9.688,15 3.926,16 5.279,17 19.721,18 6.495,19 8.933,20 1.408,21 27.486,22 9.267,23 12.094,24 1.443,25 28.726,26 9.466,27 13.443,28 1.312,29 9.274,30 12.47,31 3.903,32 5.525,34 2.368,35 6,36 20,37 4,38 2.563,39 223.651,40 254.929,41 223.651,42 223.651,43 223.651,44 223.651,45 3.769,46 2.7,47 0.898,48 0.825,49 1.471,50 0.622,51 1.206,52 0.299,53 1.249,54 0.868,55 1.139,56 0.226,57 1.085,58 7.224,59 5.244,60 3.926,61 86.341,62 4.408,63 4.608,64 3.851,65 3.769,66 4.65,67 3.907,68 3.863,69 1.135,70 26.456,71 1,72 4,73 6.103,74 3.712,75 2.745,76 8.92,77 19.328,79 223.651,81 7.413,82 6.312,83 5.967,84 12.386,85 7.794,86 7.41,87 8.587,88 2.745,89 8.92,90 3.074,91 2.849,92 2.929,93 1.069,94 1.007,95 1.241,96 0.805,97 1.048,98 4.247,99 196.968,100 196.968,101 2.903,102 2.908,103 28.112,105 2.653,106 2.927,107 8.423,108 8.129,109 9.354,110 10.263,111 3.807,112 3.873,113 3.838,114 0.443,115 1.89,116 2.003,117 2.03,118 1.289,119 2.026,120 0.765,121 1.153,122 1.429,123 4.345,124 127.386,125 2,126 3.644}
{0 CHEMBL8145,1 6,2 97.801,3 77.868,4 4.32,5 3.58,6 4.215,7 4.356,8 3.436,9 4.037,10 4.202,11 3.235,12 3.77,13 3.902,14 4.153,15 2.638,16 2.436,17 6.348,18 4.126,19 4.043,20 0.674,21 10.718,22 5.517,23 5.392,24 0.683,25 12.823,26 5.627,27 5.874,28 0.578,29 4.783,30 4.929,31 3.442,32 3.334,34 2.524,36 10,38 1.572,39 94.169,40 82.398,41 94.169,42 94.169,43 94.169,44 94.169,45 3.784,46 2.233,47 0.555,48 0.218,49 0.988,50 0.032,51 0.876,53 0.868,54 0.385,55 0.634,57 0.771,58 4.206,59 2.937,60 1.957,61 97.801,62 3.936,63 4.005,64 3.488,65 3.5,66 4.211,67 3.585,68 3.423,69 0.505,70 11.832,71 2,72 6,73 6.095,74 3.707,75 2.725,76 8.825,77 10.262,79 215.68,81 7.256,82 6.155,83 6.094,84 12.234,85 7.615,86 7.544,87 8.42,88 2.725,89 8.825,90 2.689,91 2.626,92 2.619,93 1.028,94 0.596,95 0.869,96 0.393,97 0.843,99 128.127,100 132.881,101 1.343,102 2.717,103 7.891,105 2.674,106 3.018,107 11.534,108 8.363,109 9.617,110 10.613,111 3.851,112 3.869,113 3.797,114 0.52,115 1.972,116 2.045,117 2.065,118 1.152,119 2.056,120 0.179,121 0.815,122 1.038,124 97.801,125 4,126 3.398}
{0 CHEMBL83,1 38,2 188.689,3 161.41,4 5.026,5 4.201,6 4.908,7 5.138,8 4.265,9 4.997,10 5.212,11 4.381,12 5.113,13 5.346,14 12.886,15 5.695,16 7.853,17 22.402,18 9.009,19 12.572,20 1.407,21 27.76,22 11.882,23 16.408,24 1.533,25 30.189,26 13.309,27 18.509,28 1.687,29 14.435,30 19.973,31 4.616,32 6.278,34 2.901,35 6,36 29,37 3,38 3.528,39 341.362,40 341.362,41 341.362,42 341.362,43 341.362,44 341.362,45 3.8,46 2.735,47 1.061,48 1.001,49 1.558,50 0.697,51 1.417,52 0.481,53 1.308,54 0.934,55 1.335,56 0.469,57 1.285,58 7.115,59 4.79,60 3.348,61 188.689,62 4.603,63 4.795,64 4.04,65 3.951,66 4.818,67 4.078,68 4.132,69 1.18,70 33.081,71 3,72 31,73 5.89,74 3.61,75 2.624,76 8.154,77 23.009,79 352.362,81 7.349,82 6.176,83 6.103,84 12.315,85 7.727,86 7.655,87 8.447,88 2.624,89 8.154,90 3.147,91 2.874,92 3.009,93 1.108,94 1.107,95 1.253,96 0.821,97 1.239,98 2.568,99 272.21,100 278.21,101 2.306,102 3.031,103 36.88,104 1,105 2.596,106 3.332,107 9.233,108 8.383,109 9.688,110 10.643,111 3.857,112 3.885,113 3.788,114 0.385,115 2.023,116 2.115,117 2.081,118 1.291,119 2.093,120 0.947,121 1.215,122 1.507,123 6.336,124 191.814,125 17,126 4.495}
{0 CHEMBL831,1 7,2 105.411,3 80.979,4 4.861,5 3.995,6 4.707,7 4.937,8 3.952,9 4.648,10 4.875,11 3.957,12 4.598,13 4.776,14 7.723,15 3.619,16 4.707,17 16.315,18 5.898,19 7.803,20 1.257,21 24.611,22 8.476,23 11.084,24 1.273,25 26.568,26 9.043,27 12.24,28 1.22,29 8.431,30 11.597,31 3.777,32 5.257,34 2.366,35 5,36 18,37 4,38 2.501,39 211.88,40 211.88,41 211.88,42 211.88,43 211.88,44 211.88,45 3.747,46 2.702,47 1.045,48 0.825,49 1.265,50 0.36,51 1.138,52 0.194,53 1.119,54 0.811,55 1.04,56 0.186,57 1.007,58 6.372,59 4.532,60 3.126,61 105.411,62 4.387,63 4.565,64 3.8,65 3.765,66 4.67,67 3.932,68 3.86,69 1.01,70 25.423,71 1,72 5,73 6.103,74 3.7,75 2.744,76 8.919,77 18.387,79 262.028,81 7.413,82 6.293,83 5.94,84 12.386,85 7.789,86 7.43,87 8.553,88 2.744,89 8.919,90 3.009,91 2.812,92 2.876,93 1.07,94 0.928,95 1.126,96 0.76,97 0.981,98 3.946,99 194.905,100 194.905,101 2.4,102 2.868,103 21.312,105 2.626,106 2.932,107 8.423,108 8.113,109 9.368,110 10.256,111 3.806,112 3.867,113 3.83,114 0.424,115 1.9,116 2.007,117 2.041,118 1.292,119 2.036,120 0.654,121 1.043,122 1.273,123 2.148,124 128.445,125 3,126 4.569}
{0 CHEMBL837,1 8,2 102.191,3 58.68,4 5.01,5 4.235,6 5.006,7 5.151,8 4.273,9 5.013,10 5.198,11 4.229,12 4.975,13 5.189,14 8.874,15 4.673,16 5.284,17 17.954,18 8.012,19 9.718,20 1.495,21 24.683,22 10.626,23 12.721,24 1.656,25 29.684,26 11.481,27 13.046,28 1.669,29 12.155,30 15.287,31 4.044,32 7.143,33 2,34 2.682,35 7,36 20,37 4,38 3.282,39 211.88,40 211.88,41 211.88,42 211.88,43 211.88,44 211.88,45 3.844,46 2.799,47 0.969,48 0.937,49 1.463,50 0.646,51 1.227,52 0.369,53 1.231,54 0.926,55 1.177,56 0.29,57 1.149,58 7.576,59 6.143,60 4.554,61 102.191,62 4.59,63 4.724,64 4.034,65 4.032,66 4.87,67 4.231,68 4.253,69 1.167,70 31.675,71 3,72 10,73 7.038,74 4.322,75 3.348,76 12.091,77 28.049,78 1,79 358.536,80 42.683,81 8.485,82 7.179,83 7.042,84 13.345,85 8.609,86 8.447,87 9.655,88 3.348,89 12.091,90 3.114,91 3.006,92 3.045,93 1.248,94 0.972,95 1.238,96 0.885,97 1.171,98 1.042,99 257.611,100 257.611,101 3.254,102 2.928,103 32.258,104 2,105 3.263,106 3.178,107 14.891,108 9.463,109 10.731,110 11.875,111 3.944,112 3.955,113 3.909,114 0.44,115 2.05,116 2.115,117 2.126,118 1.327,119 2.123,120 0.819,121 1.256,122 1.507,123 3.709,124 122.101,125 8,126 3.833}
{0 CHEMBL845,1 6,2 92.041,3 69.458,4 4.858,5 3.96,6 4.611,7 4.845,8 3.902,9 4.562,10 4.782,11 3.936,12 4.596,13 4.799,14 7.394,15 3.216,16 4.339,17 14.692,18 5.502,19 7.537,20 1.286,21 24.368,22 7.931,23 10.995,24 1.235,25 23.648,26 7.641,27 10.755,28 1.187,29 7.584,30 10.615,31 3.769,32 5.061,34 2.191,35 4,36 17,37 4,38 2.393,39 176.567,40 176.567,41 176.567,42 176.567,43 176.567,44 176.567,45 3.751,46 2.613,47 1.046,48 0.825,49 1.212,50 0.274,51 1.121,52 0.229,53 1.094,54 0.788,55 1.073,56 0.155,57 1.018,58 5.941,59 4.275,60 3.094,61 92.041,62 4.325,63 4.502,64 3.778,65 3.728,66 4.636,67 3.882,68 3.814,69 0.999,70 20.835,71 1,72 6,73 6.132,74 3.744,75 2.785,76 9.036,77 16.72,79 215.715,81 7.345,82 6.196,83 5.914,84 12.326,85 7.726,86 7.437,87 8.483,88 2.785,89 9.036,90 2.926,91 2.79,92 2.866,93 1.102,94 0.831,95 1.074,96 0.727,97 0.98,98 3.889,99 186.131,100 186.131,101 2.3,102 2.91,103 22.142,105 2.669,106 2.865,107 8.423,108 8.135,109 9.408,110 10.315,111 3.802,112 3.852,113 3.851,114 0.439,115 1.915,116 2.021,117 2.037,118 1.261,119 2.034,120 0.435,121 1.032,122 1.249,124 147.972,125 3,126 4.252}